2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one

C19H25N3O — CID 49409732

IUPAC2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(CC2CCCN(C(=O)C(C)n3ccnc3)C2)cc1
InChIInChI=1S/C19H25N3O/c1-15-5-7-17(8-6-15)12-18-4-3-10-21(13-18)19(23)16(2)22-11-9-20-14-22/h5-9,11,14,16,18H,3-4,10,12-13H2,1-2H3
InChIKeyYLHDYOYXCVSYQE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.23
Rot. Bonds4

About 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one

2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 49409732) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID49409732
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(CC2CCCN(C(=O)C(C)n3ccnc3)C2)cc1
InChIInChI=1S/C19H25N3O/c1-15-5-7-17(8-6-15)12-18-4-3-10-21(13-18)19(23)16(2)22-11-9-20-14-22/h5-9,11,14,16,18H,3-4,10,12-13H2,1-2H3
InChIKeyYLHDYOYXCVSYQE-UHFFFAOYSA-N
XLogP3.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
(2R)-1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95777810
methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 52805498
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762087
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904
(2S)-2-imidazol-1-yl-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777650
(2S)-2-imidazol-1-yl-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777649
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 94068052
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one (CID 49409732) is 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one is Cc1ccc(CC2CCCN(C(=O)C(C)n3ccnc3)C2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is YLHDYOYXCVSYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-5-7-17(8-6-15)12-18-4-3-10-21(13-18)19(23)16(2)22-11-9-20-14-22/h5-9,11,14,16,18H,3-4,10,12-13H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 49409732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).